N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide

C17H20ClN3O4S — CID 38171543

IUPACN-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
SMILESCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-21(12-17(22)20-16-5-3-2-4-15(16)18)10-11-25-13-6-8-14(9-7-13)26(19,23)24/h2-9H,10-12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyMHXPSZKFOKPTEU-UHFFFAOYSA-N
MW397.88 g/mol
LogP1.94
Rot. Bonds8

About N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide

N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide (PubChem CID 38171543) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
PubChem CID38171543
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC NameN-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
SMILESCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-21(12-17(22)20-16-5-3-2-4-15(16)18)10-11-25-13-6-8-14(9-7-13)26(19,23)24/h2-9H,10-12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyMHXPSZKFOKPTEU-UHFFFAOYSA-N
XLogP1.94
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2526439
N-(2,6-dichlorophenyl)-2-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl-methylamino]acetamide
CID 17425916
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 9252524
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
CID 34926420
2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8754897
N-(2-chlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799254
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9252381
N-(2-chloro-4-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797671
methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 9252455
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]acetamide
CID 9287046
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 39975511

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide (CID 38171543) is N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide is CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide?
The InChIKey is MHXPSZKFOKPTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-21(12-17(22)20-16-5-3-2-4-15(16)18)10-11-25-13-6-8-14(9-7-13)26(19,23)24/h2-9H,10-12H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide?
N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide has a molecular weight of 397.88 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide is sourced from PubChem (CID 38171543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).